Geometry & MOs

Info

ID:	268303
PubChem CID:	103598818
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	4.74
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[4-(2-oxopyridin-1-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCCCCN2C=CC=CC2=O)Cl)CC(C)C

DOS

IR

Vibrations